1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C23H32FN3O4 — CID 45175806

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCN(C)CCN1C(=O)CC(CC(=O)N2CCCCC2CCO)(c2ccccc2F)C1=O
InChIInChI=1S/C23H32FN3O4/c1-25(2)12-13-27-21(30)16-23(22(27)31,18-8-3-4-9-19(18)24)15-20(29)26-11-6-5-7-17(26)10-14-28/h3-4,8-9,17,28H,5-7,10-16H2,1-2H3
InChIKeyDNPVNJRZXHOCDH-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.54
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45175806) has the molecular formula C23H32FN3O4 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID45175806
Molecular FormulaC23H32FN3O4
Molecular Weight433.52 g/mol
Exact Mass433.24
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCN(C)CCN1C(=O)CC(CC(=O)N2CCCCC2CCO)(c2ccccc2F)C1=O
InChIInChI=1S/C23H32FN3O4/c1-25(2)12-13-27-21(30)16-23(22(27)31,18-8-3-4-9-19(18)24)15-20(29)26-11-6-5-7-17(26)10-14-28/h3-4,8-9,17,28H,5-7,10-16H2,1-2H3
InChIKeyDNPVNJRZXHOCDH-UHFFFAOYSA-N
XLogP1.54
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 45175806) is 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is CN(C)CCN1C(=O)CC(CC(=O)N2CCCCC2CCO)(c2ccccc2F)C1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is DNPVNJRZXHOCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4/c1-25(2)12-13-27-21(30)16-23(22(27)31,18-8-3-4-9-19(18)24)15-20(29)26-11-6-5-7-17(26)10-14-28/h3-4,8-9,17,28H,5-7,10-16H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 433.52 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45175806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).